N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

C17H21N3OS — CID 7744758

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C17H21N3OS/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(21)13-16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21)
InChIKeyPGOQJZVTKWYPPO-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.68
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 7744758) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID7744758
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C17H21N3OS/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(21)13-16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21)
InChIKeyPGOQJZVTKWYPPO-UHFFFAOYSA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995876
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 7744758) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is CN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is PGOQJZVTKWYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(21)13-16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7744758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).